(2-nitrophenyl) 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonate

Systemtic Name: (2-nitrophenyl) 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonate Openeye Name: (2-nitrophenyl) 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonate CAS Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonic acid (2-nitrophenyl) ester IUPAC Name: (2-nitrophenyl) 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonate Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonic acid (2-nitrophenyl) ester Formula: C15H13NO7S MolecularWeight: 351.33122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)OC3=CC=CC=C3[N+](=O)[O-])OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)OC3=CC=CC=C3[N+](=O)[O-])OC1

InChI

InChI=1S/C15H13NO7S/c17-16(18)12-4-1-2-5-13(12)23-24(19,20)11-6-7-14-15(10-11)22-9-3-8-21-14/h1-2,4-7,10H,3,8-9H2